SCHEMBL6800871

SCHEMBL6800871

Cc1ccc(S(=O)(=O)N(CC(c2ccc([N+](=O)[O-])cc2)C(C)(C)C)C(=O)O)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
PDE2A O00408 1/20 0.37
PDE5A O76074 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
APEX1 P27695 1/20 0.37
PDE4A P27815 1/20 0.37
BLM P54132 1/20 0.37
PDE1B Q01064 1/20 0.37
PMP22 Q01453 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE7A Q13946 1/20 0.37
PDE1C Q14123 1/20 0.37
PDE7B Q9NP56 1/20 0.37
CA9 Q16790 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6799665 0.86 MMP1 (0.40) MMP1MMP2MMP9MMP8MMP13
SCHEMBL6807939 0.84 KMT2A (0.40) KMT2AMEN1
SCHEMBL6800867 0.72 MMP1 (0.43) MMP1MMP2MMP9MMP8MMP13
SCHEMBL6807429 0.71 PTGER2 (0.40) KMT2AMMP1MMP2MMP9MMP13
SCHEMBL28783481 0.67 CA12 (0.57) ALDH1A1CA9KMT2AMMP1MMP2
SCHEMBL17070610 0.63 ALDH1A1 (0.67) ALDH1A1PDE2APDE5ACYP3A4ALOX15
SCHEMBL171927 0.63 ALDH1A1 (0.67) ALDH1A1PDE2APDE5ACYP3A4ALOX15
SCHEMBL19332540 0.63 CA1 (0.58) ALDH1A1CA9KMT2AMMP1MMP2
SCHEMBL13638756 0.62 ALDH1A1 (0.50) ALDH1A1CYP3A4KMT2AMEN1NPC1
Hydrochloric Acid SCHEMBL15757530 0.62 GBA1 (0.47) ALDH1A1PDE2APDE5ACYP3A4ALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040167183-A1 Phenethylamino sulfamic acids THE PROCTER & GAMBLE COMPANY 2004-08-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040167183-A1 Phenethylamino sulfamic acids PTPRM, PTPRS, PTPRE ALDH1A1 622/4885PDE2A 2955/4885PDE5A 2771/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.